SCHEMBL1724867

SCHEMBL1724867

N#Cc1ccc(C(F)(F)F)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
TRPV4 Q9HBA0 1/20 0.49
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AR P10275 5/20 0.38
SLC22A12 Q96S37 4/20 0.38
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
PDK2 Q15119 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL568905 0.84 TRPV4 (0.53) KIF11TRPV4GAAKDM4EALDH1A1
SCHEMBL7569957 0.81 TRPV4 (0.58) KIF11TRPV4ARSLC22A12CYP3A4
SCHEMBL8128718 0.80 KIF11 (0.42) KIF11TRPV4GAAKDM4EALDH1A1
SCHEMBL5203682 0.78 KIF11 (0.53) KIF11TRPV4ARSLC22A12
SCHEMBL30168580 0.78 KIF11 (0.73) KIF11TRPV4ARSLC22A12CYP3A4
SCHEMBL1727083 0.78 KIF11 (0.73) KIF11TRPV4ARSLC22A12CYP3A4
SCHEMBL8255777 0.76 KIF11 (0.51) KIF11TRPV4ARPDK2
SCHEMBL472402 0.76 TRPV4 (0.53) KIF11TRPV4ARSLC22A12PDK2
SCHEMBL171819 0.76 KIF11 (0.51) KIF11TRPV4GAAKDM4EALDH1A1
SCHEMBL1824261 0.76 KIF11 (0.51) KIF11TRPV4ARSLC22A12CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101565369-B Method for preparing 3-bromine-5-trifluoromethylbenzoic acid JIANGSU KAIYUAN PHARMACEUTICAL CHEMICAL ENGINEERING CO LTD 2012-10-03 CN claimed
CN-101565369-A Method for preparing 3-bromine-5-trifluoromethylbenzoic acid JIANGSU KAIYUAN PHARMACEUTICAL (CN) 2009-10-28 CN claimed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 US disclosed
CN-102245609-B Can be used as the Imidazopyridazine formonitrile HCN of kinase inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-09 CN disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
CN-101565369-A Method for preparing 3-bromine-5-trifluoromethylbenzoic acid JIANGSU KAIYUAN PHARMACEUTICAL (CN) 2009-10-28 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB KIF11 2798/4885TRPV4 3928/4885GAA 2745/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 KIF11 1862/4885TRPV4 3534/4885GAA 3005/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG KIF11 3151/4885TRPV4 4323/4885GAA 2457/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX KIF11 3289/4885TRPV4 142/4885GAA 1712/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.